N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide

C16H16N2O2S — CID 97414000

IUPACN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1cc([C@@H](O)CNC(=O)c2ccsc2)c2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-18-9-13(12-4-2-3-5-14(12)18)15(19)8-17-16(20)11-6-7-21-10-11/h2-7,9-10,15,19H,8H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyFHVOECGAOOYAMQ-HNNXBMFYSA-N
MW300.38 g/mol
LogP2.70
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide

N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 97414000) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID97414000
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide
SMILESCn1cc([C@@H](O)CNC(=O)c2ccsc2)c2ccccc21
InChIInChI=1S/C16H16N2O2S/c1-18-9-13(12-4-2-3-5-14(12)18)15(19)8-17-16(20)11-6-7-21-10-11/h2-7,9-10,15,19H,8H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyFHVOECGAOOYAMQ-HNNXBMFYSA-N
XLogP2.70
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide (CID 97414000) is N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide is Cn1cc([C@@H](O)CNC(=O)c2ccsc2)c2ccccc21.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is FHVOECGAOOYAMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18-9-13(12-4-2-3-5-14(12)18)15(19)8-17-16(20)11-6-7-21-10-11/h2-7,9-10,15,19H,8H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide?
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 97414000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).